N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C21H22ClFN2O2 — CID 2527737

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-18-5-1-15(2-6-18)9-12-24-20(26)16-10-13-25(14-11-16)21(27)17-3-7-19(23)8-4-17/h1-8,16H,9-14H2,(H,24,26)
InChIKeyULPOQOWYXNGSOJ-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 2527737) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID2527737
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-18-5-1-15(2-6-18)9-12-24-20(26)16-10-13-25(14-11-16)21(27)17-3-7-19(23)8-4-17/h1-8,16H,9-14H2,(H,24,26)
InChIKeyULPOQOWYXNGSOJ-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Moclobemide
CID 4235
Amiperone
CID 71101
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
2-Chloro-N-phenethyl-benzamide
CID 692233
Z944
CID 44540045
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
PNU-282987 free base
CID 9795278

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 2527737) is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is ULPOQOWYXNGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-18-5-1-15(2-6-18)9-12-24-20(26)16-10-13-25(14-11-16)21(27)17-3-7-19(23)8-4-17/h1-8,16H,9-14H2,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 2527737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).